SEQ2FUN

BioLiP

PDB CCD ID: VWR
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N5 S
InChI: InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12)
InChIKey: BKBWXQIEMQPRQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCn1nnnc1NCc1cccs1
CACTVS 3.385CCn1nnnc1NCc2sccc2
OpenEye OEToolkits 2.0.7CCn1c(nnn1)NCc2cccs2
Name:1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine
ZINC: ZINC000008340179
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).